LAMMPS (17 Mar 2017)
  using 1 OpenMP thread(s) per MPI task

# ----------------- Settings Section -----------------

units           metal
boundary        p p p
neigh_modify    delay 0 every 1 check yes

atom_style      full
bond_style      harmonic
angle_style     charmm
dihedral_style  charmm
improper_style  harmonic
pair_style      hybrid/overlay eam/fs lj/charmm/coul/long 10.0 12.0 momb 12.0 0.75 20.0 morse 5.5
kspace_style    pppm 1e-5

# ----------------- Atom Definition Section -----------------

read_data system.data
  orthogonal box = (0 0 0) to (53.6198 53.6198 160)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  18146 atoms
  scanning bonds ...
  4 = max bonds/atom
  scanning angles ...
  6 = max angles/atom
  scanning dihedrals ...
  13 = max dihedrals/atom
  scanning impropers ...
  1 = max impropers/atom
  reading bonds ...
  12694 bonds
  reading angles ...
  19786 angles
  reading dihedrals ...
  29690 dihedrals
  reading impropers ...
  5 impropers
  4 = max # of 1-2 neighbors
  8 = max # of 1-3 neighbors
  20 = max # of 1-4 neighbors
  23 = max # of special neighbors

pair_coeff   *   *  eam/fs Ag_O1X5.5_O2X0.55.eam.fs NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL O1 NULL NULL NULL O2 Ag
pair_coeff  1*4   16     morse   0.00480  1.30   1.94 # HGA1, HGA2, HGA3
pair_coeff    5   16     morse   0.00722  1.14   4.85 # CG2R53
pair_coeff  6*8   16     morse   0.00244  1.01   4.92 # CG311, CG321, CG331
pair_coeff    9   16     morse   0.00230  1.03   4.92 # CG3C52
pair_coeff   10   16     morse   0.00492  1.76   3.26 # NG2R53
pair_coeff   11   16     morse   0.00325  3.34   2.65 # OG2D1
pair_coeff   12   16     morse   0.00480  1.30   1.94 # HCA2
pair_coeff   13   16     morse   0.00448  1.06   2.13 # HCP1
pair_coeff   14   16     morse   0.00216  1.26   4.99 # CC32A
pair_coeff   15   16     morse   0.00217  2.09   3.43 # OC311
pair_coeff  1*4   16     momb    0.0 1.0 1.0 10.2847 2.361 # H
pair_coeff  5*9   16     momb    0.0 1.0 1.0 36.3619 2.812 # C
pair_coeff   10   16     momb    0.0 1.0 1.0 30.4846 2.757 # N
pair_coeff   11   16     momb    0.0 1.0 1.0 22.9973 2.702 # O
pair_coeff   12   16     momb    0.0 1.0 1.0 10.2847 2.361 # HCA2
pair_coeff   13   16     momb    0.0 1.0 1.0 10.2847 2.361 # HCP1
pair_coeff   14   16     momb    0.0 1.0 1.0 36.3619 2.812 # CC32A
pair_coeff   15   16     momb    0.0 1.0 1.0 22.9973 2.702 # OC311

# arithmetic mixing for CHARMM pair coeffs
pair_coeff   1   1  lj/charmm/coul/long    0.001520  2.387609  0.001520  2.387609 #HRA2  HRA2
pair_coeff   1   2  lj/charmm/coul/long    0.001722  2.387609  0.001722  2.387609 #HRA2  HGA1
pair_coeff   1   3  lj/charmm/coul/long    0.001520  2.387609  0.001520  2.387609 #HRA2  HGA2
pair_coeff   1   4  lj/charmm/coul/long    0.001257  2.387609  0.001257  2.387609 #HRA2  HGA3
pair_coeff   1   5  lj/charmm/coul/long    0.001150  3.153782  0.001150  3.153782 #HRA2  CG2R53
pair_coeff   1   6  lj/charmm/coul/long    0.001454  2.975602  0.000808  2.886512 #HRA2  CG311
pair_coeff   1   7  lj/charmm/coul/long    0.001922  2.984511  0.000808  2.886512 #HRA2  CG321
pair_coeff   1   8  lj/charmm/coul/long    0.002267  3.020147  0.000808  2.886512 #HRA2  CG331
pair_coeff   1   9  lj/charmm/coul/long    0.001988  2.993420  0.000808  2.886512 #HRA2  CG3C52
pair_coeff   1  10  lj/charmm/coul/long    0.003630  2.841967  0.003630  2.841967 #HRA2  NG2R53
pair_coeff   1  11  lj/charmm/coul/long    0.002811  2.708333  0.002811  2.441063 #HRA2  OG2D1
pair_coeff   1  12  lj/charmm/coul/long    0.001520  2.387609  0.001520  2.387609 #HRA2  HCA2
pair_coeff   1  13  lj/charmm/coul/long    0.001739  1.393811  0.001739  1.393811 #HRA2  HCP1
pair_coeff   1  14  lj/charmm/coul/long    0.001922  2.984511  0.000808  2.886512 #HRA2  CC32A
pair_coeff   1  15  lj/charmm/coul/long    0.003558  2.766240  0.003558  2.766240 #HRA2  OC311
pair_coeff   2   2  lj/charmm/coul/long    0.001950  2.387609  0.001950  2.387609 #HGA1  HGA1
pair_coeff   2   3  lj/charmm/coul/long    0.001722  2.387609  0.001722  2.387609 #HGA1  HGA2
pair_coeff   2   4  lj/charmm/coul/long    0.001424  2.387609  0.001424  2.387609 #HGA1  HGA3
pair_coeff   2   5  lj/charmm/coul/long    0.001302  3.153782  0.001302  3.153782 #HGA1  CG2R53
pair_coeff   2   6  lj/charmm/coul/long    0.001646  2.975602  0.000916  2.886512 #HGA1  CG311
pair_coeff   2   7  lj/charmm/coul/long    0.002177  2.984511  0.000916  2.886512 #HGA1  CG321
pair_coeff   2   8  lj/charmm/coul/long    0.002567  3.020147  0.000916  2.886512 #HGA1  CG331
pair_coeff   2   9  lj/charmm/coul/long    0.002252  2.993420  0.000916  2.886512 #HGA1  CG3C52
pair_coeff   2  10  lj/charmm/coul/long    0.004112  2.841967  0.004112  2.841967 #HGA1  NG2R53
pair_coeff   2  11  lj/charmm/coul/long    0.003184  2.708333  0.003184  2.441063 #HGA1  OG2D1
pair_coeff   2  12  lj/charmm/coul/long    0.001722  2.387609  0.001722  2.387609 #HGA1  HCA2
pair_coeff   2  13  lj/charmm/coul/long    0.001970  1.393811  0.001970  1.393811 #HGA1  HCP1
pair_coeff   2  14  lj/charmm/coul/long    0.002177  2.984511  0.000916  2.886512 #HGA1  CC32A
pair_coeff   2  15  lj/charmm/coul/long    0.004030  2.766240  0.004030  2.766240 #HGA1  OC311
pair_coeff   3   3  lj/charmm/coul/long    0.001520  2.387609  0.001520  2.387609 #HGA2  HGA2
pair_coeff   3   4  lj/charmm/coul/long    0.001257  2.387609  0.001257  2.387609 #HGA2  HGA3
pair_coeff   3   5  lj/charmm/coul/long    0.001150  3.153782  0.001150  3.153782 #HGA2  CG2R53
pair_coeff   3   6  lj/charmm/coul/long    0.001454  2.975602  0.000808  2.886512 #HGA2  CG311
pair_coeff   3   7  lj/charmm/coul/long    0.001922  2.984511  0.000808  2.886512 #HGA2  CG321
pair_coeff   3   8  lj/charmm/coul/long    0.002267  3.020147  0.000808  2.886512 #HGA2  CG331
pair_coeff   3   9  lj/charmm/coul/long    0.001988  2.993420  0.000808  2.886512 #HGA2  CG3C52
pair_coeff   3  10  lj/charmm/coul/long    0.003630  2.841967  0.003630  2.841967 #HGA2  NG2R53
pair_coeff   3  11  lj/charmm/coul/long    0.002811  2.708333  0.002811  2.441063 #HGA2  OG2D1
pair_coeff   3  12  lj/charmm/coul/long    0.001520  2.387609  0.001520  2.387609 #HGA2  HCA2
pair_coeff   3  13  lj/charmm/coul/long    0.001739  1.393811  0.001739  1.393811 #HGA2  HCP1
pair_coeff   3  14  lj/charmm/coul/long    0.001922  2.984511  0.000808  2.886512 #HGA2  CC32A
pair_coeff   3  15  lj/charmm/coul/long    0.003558  2.766240  0.003558  2.766240 #HGA2  OC311
pair_coeff   4   4  lj/charmm/coul/long    0.001040  2.387609  0.001040  2.387609 #HGA3  HGA3
pair_coeff   4   5  lj/charmm/coul/long    0.000951  3.153782  0.000951  3.153782 #HGA3  CG2R53
pair_coeff   4   6  lj/charmm/coul/long    0.001202  2.975602  0.000669  2.886512 #HGA3  CG311
pair_coeff   4   7  lj/charmm/coul/long    0.001590  2.984511  0.000669  2.886512 #HGA3  CG321
pair_coeff   4   8  lj/charmm/coul/long    0.001875  3.020147  0.000669  2.886512 #HGA3  CG331
pair_coeff   4   9  lj/charmm/coul/long    0.001644  2.993420  0.000669  2.886512 #HGA3  CG3C52
pair_coeff   4  10  lj/charmm/coul/long    0.003003  2.841967  0.003003  2.841967 #HGA3  NG2R53
pair_coeff   4  11  lj/charmm/coul/long    0.002326  2.708333  0.002326  2.441063 #HGA3  OG2D1
pair_coeff   4  12  lj/charmm/coul/long    0.001257  2.387609  0.001257  2.387609 #HGA3  HCA2
pair_coeff   4  13  lj/charmm/coul/long    0.001439  1.393811  0.001439  1.393811 #HGA3  HCP1
pair_coeff   4  14  lj/charmm/coul/long    0.001590  2.984511  0.000669  2.886512 #HGA3  CC32A
pair_coeff   4  15  lj/charmm/coul/long    0.002943  2.766240  0.002943  2.766240 #HGA3  OC311
pair_coeff   5   5  lj/charmm/coul/long    0.000870  3.919954  0.000870  3.919954 #CG2R53CG2R53
pair_coeff   5   6  lj/charmm/coul/long    0.001100  3.741775  0.000612  3.652685 #CG2R53CG311
pair_coeff   5   7  lj/charmm/coul/long    0.001454  3.750684  0.000612  3.652685 #CG2R53CG321
pair_coeff   5   8  lj/charmm/coul/long    0.001715  3.786320  0.000612  3.652685 #CG2R53CG331
pair_coeff   5   9  lj/charmm/coul/long    0.001504  3.759593  0.000612  3.652685 #CG2R53CG3C52
pair_coeff   5  10  lj/charmm/coul/long    0.002746  3.608140  0.002746  3.608140 #CG2R53NG2R53
pair_coeff   5  11  lj/charmm/coul/long    0.002127  3.474505  0.002127  3.207235 #CG2R53OG2D1
pair_coeff   5  12  lj/charmm/coul/long    0.001150  3.153782  0.001150  3.153782 #CG2R53HCA2
pair_coeff   5  13  lj/charmm/coul/long    0.001316  2.159984  0.001316  2.159984 #CG2R53HCP1
pair_coeff   5  14  lj/charmm/coul/long    0.001454  3.750684  0.000612  3.652685 #CG2R53CC32A
pair_coeff   5  15  lj/charmm/coul/long    0.002692  3.532413  0.002692  3.532413 #CG2R53OC311
pair_coeff   6   6  lj/charmm/coul/long    0.001390  3.563595  0.000430  3.385415 #CG311 CG311
pair_coeff   6   7  lj/charmm/coul/long    0.001838  3.572504  0.000430  3.385415 #CG311 CG321
pair_coeff   6   8  lj/charmm/coul/long    0.002168  3.608140  0.000430  3.385415 #CG311 CG331
pair_coeff   6   9  lj/charmm/coul/long    0.001901  3.581413  0.000430  3.385415 #CG311 CG3C52
pair_coeff   6  10  lj/charmm/coul/long    0.003471  3.429960  0.001931  3.340870 #CG311 NG2R53
pair_coeff   6  11  lj/charmm/coul/long    0.002688  3.296326  0.001495  2.939966 #CG311 OG2D1
pair_coeff   6  12  lj/charmm/coul/long    0.001454  2.975602  0.000808  2.886512 #CG311 HCA2
pair_coeff   6  13  lj/charmm/coul/long    0.001663  1.981804  0.000925  1.892714 #CG311 HCP1
pair_coeff   6  14  lj/charmm/coul/long    0.001838  3.572504  0.000430  3.385415 #CG311 CC32A
pair_coeff   6  15  lj/charmm/coul/long    0.003403  3.354233  0.001893  3.265143 #CG311 OC311
pair_coeff   7   7  lj/charmm/coul/long    0.002430  3.581413  0.000430  3.385415 #CG321 CG321
pair_coeff   7   8  lj/charmm/coul/long    0.002866  3.617049  0.000430  3.385415 #CG321 CG331
pair_coeff   7   9  lj/charmm/coul/long    0.002514  3.590322  0.000430  3.385415 #CG321 CG3C52
pair_coeff   7  10  lj/charmm/coul/long    0.004590  3.438869  0.001931  3.340870 #CG321 NG2R53
pair_coeff   7  11  lj/charmm/coul/long    0.003555  3.305235  0.001495  2.939966 #CG321 OG2D1
pair_coeff   7  12  lj/charmm/coul/long    0.001922  2.984511  0.000808  2.886512 #CG321 HCA2
pair_coeff   7  13  lj/charmm/coul/long    0.002199  1.990713  0.000925  1.892714 #CG321 HCP1
pair_coeff   7  14  lj/charmm/coul/long    0.002430  3.581413  0.000430  3.385415 #CG321 CC32A
pair_coeff   7  15  lj/charmm/coul/long    0.004499  3.363142  0.001893  3.265143 #CG321 OC311
pair_coeff   8   8  lj/charmm/coul/long    0.003380  3.652685  0.000430  3.385415 #CG331 CG331
pair_coeff   8   9  lj/charmm/coul/long    0.002964  3.625958  0.000430  3.385415 #CG331 CG3C52
pair_coeff   8  10  lj/charmm/coul/long    0.005413  3.474505  0.001931  3.340870 #CG331 NG2R53
pair_coeff   8  11  lj/charmm/coul/long    0.004192  3.340871  0.001495  2.939966 #CG331 OG2D1
pair_coeff   8  12  lj/charmm/coul/long    0.002267  3.020147  0.000808  2.886512 #CG331 HCA2
pair_coeff   8  13  lj/charmm/coul/long    0.002593  2.026349  0.000925  1.892714 #CG331 HCP1
pair_coeff   8  14  lj/charmm/coul/long    0.002866  3.617049  0.000430  3.385415 #CG331 CC32A
pair_coeff   8  15  lj/charmm/coul/long    0.005306  3.398778  0.001893  3.265143 #CG331 OC311
pair_coeff   9   9  lj/charmm/coul/long    0.002600  3.599231  0.000430  3.385415 #CG3C52CG3C52
pair_coeff   9  10  lj/charmm/coul/long    0.004748  3.447778  0.001931  3.340870 #CG3C52NG2R53
pair_coeff   9  11  lj/charmm/coul/long    0.003677  3.314144  0.001495  2.939966 #CG3C52OG2D1
pair_coeff   9  12  lj/charmm/coul/long    0.001988  2.993420  0.000808  2.886512 #CG3C52HCA2
pair_coeff   9  13  lj/charmm/coul/long    0.002275  1.999622  0.000925  1.892714 #CG3C52HCP1
pair_coeff   9  14  lj/charmm/coul/long    0.002514  3.590322  0.000430  3.385415 #CG3C52CC32A
pair_coeff   9  15  lj/charmm/coul/long    0.004654  3.372051  0.001893  3.265143 #CG3C52OC311
pair_coeff  10  10  lj/charmm/coul/long    0.008670  3.296325  0.008670  3.296325 #NG2R53NG2R53
pair_coeff  10  11  lj/charmm/coul/long    0.006714  3.162691  0.006714  2.895421 #NG2R53OG2D1
pair_coeff  10  12  lj/charmm/coul/long    0.003630  2.841967  0.003630  2.841967 #NG2R53HCA2
pair_coeff  10  13  lj/charmm/coul/long    0.004154  1.848169  0.004154  1.848169 #NG2R53HCP1
pair_coeff  10  14  lj/charmm/coul/long    0.004590  3.438869  0.001931  3.340870 #NG2R53CC32A
pair_coeff  10  15  lj/charmm/coul/long    0.008498  3.220598  0.008498  3.220598 #NG2R53OC311
pair_coeff  11  11  lj/charmm/coul/long    0.005200  3.029056  0.005200  2.494516 #OG2D1 OG2D1
pair_coeff  11  12  lj/charmm/coul/long    0.002811  2.708333  0.002811  2.441063 #OG2D1 HCA2
pair_coeff  11  13  lj/charmm/coul/long    0.003217  1.714535  0.003217  1.447265 #OG2D1 HCP1
pair_coeff  11  14  lj/charmm/coul/long    0.003555  3.305235  0.001495  2.939966 #OG2D1 CC32A
pair_coeff  11  15  lj/charmm/coul/long    0.006581  3.086964  0.006581  2.819694 #OG2D1 OC311
pair_coeff  12  12  lj/charmm/coul/long    0.001520  2.387609  0.001520  2.387609 #HCA2  HCA2
pair_coeff  12  13  lj/charmm/coul/long    0.001739  1.393811  0.001739  1.393811 #HCA2  HCP1
pair_coeff  12  14  lj/charmm/coul/long    0.001922  2.984511  0.000808  2.886512 #HCA2  CC32A
pair_coeff  12  15  lj/charmm/coul/long    0.003558  2.766240  0.003558  2.766240 #HCA2  OC311
pair_coeff  13  13  lj/charmm/coul/long    0.001990  0.400014  0.001990  0.400014 #HCP1  HCP1
pair_coeff  13  14  lj/charmm/coul/long    0.002199  1.990713  0.000925  1.892714 #HCP1  CC32A
pair_coeff  13  15  lj/charmm/coul/long    0.004071  1.772443  0.004071  1.772443 #HCP1  OC311
pair_coeff  14  14  lj/charmm/coul/long    0.002430  3.581413  0.000430  3.385415 #CC32A CC32A
pair_coeff  14  15  lj/charmm/coul/long    0.004499  3.363142  0.001893  3.265143 #CC32A OC311
pair_coeff  15  15  lj/charmm/coul/long    0.008330  3.144872  0.008330  3.144872 #OC311 OC311


special_bonds   charmm

# ----------------- Run Section -----------------

timestep        0.001

minimize	1.0e-3 1.0e-5 1000 10000
PPPM initialization ...
WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
  G vector (1/distance) = 0.224856
  grid = 27 27 64
  stencil order = 5
  estimated absolute RMS force accuracy = 0.00015081
  estimated relative force accuracy = 1.04732e-05
  using double precision FFTs
  3d grid and FFT values/proc = 79764 46656
WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (../pair.cpp:218)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 14
  ghost atom cutoff = 14
  binsize = 7, bins = 8 8 23
  5 neighbor lists, perpetual/occasional/extra = 5 0 0
  (1) pair eam/fs, perpetual, skip from (5)
      attributes: half, newton on
      pair build: skip
      stencil: none
      bin: none
  (2) pair lj/charmm/coul/long, perpetual, skip from (5)
      attributes: half, newton on
      pair build: skip
      stencil: none
      bin: none
  (3) pair momb, perpetual, skip from (5)
      attributes: half, newton on
      pair build: skip
      stencil: none
      bin: none
  (4) pair morse, perpetual, copy from (3)
      attributes: half, newton on
      pair build: copy
      stencil: none
      bin: none
  (5) neighbor class addition, perpetual
      attributes: half, newton on
      pair build: half/bin/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 99.82 | 99.82 | 99.82 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -10035.476    218.18376   -9817.2917    -1066.914 
       9            0   -10244.892    211.35072   -10033.541   -3283.8636 
Loop time of 2.6765 on 1 procs for 9 steps with 18146 atoms

99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -9817.29174185      -10023.887559     -10033.5413886
  Force two-norm initial, final = 76.9233 27.3547
  Force max component initial, final = 11.8658 7.37882
  Final line search alpha, max atom move = 0.0472944 0.348977
  Iterations, force evaluations = 9 11

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.3191     | 2.3191     | 2.3191     |   0.0 | 86.65
Bond    | 0.084626   | 0.084626   | 0.084626   |   0.0 |  3.16
Kspace  | 0.2622     | 0.2622     | 0.2622     |   0.0 |  9.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0033448  | 0.0033448  | 0.0033448  |   0.0 |  0.12
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.007261   |            |       |  0.27

Nlocal:    18146 ave 18146 max 18146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    29277 ave 29277 max 29277 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    439189 ave 439189 max 439189 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 439189
Ave neighs/atom = 24.2031
Ave special neighs/atom = 5.92362
Neighbor list builds = 0
Dangerous builds = 0
reset_timestep  0

velocity        all create 413.0 12378 dist gaussian

thermo          10
thermo_style    custom step pe ke etotal temp press pxx pyy pzz

variable STEP equal step
variable PE equal pe
variable KE equal ke
variable ETOTAL equal etotal
variable TEMP equal temp
variable VOL equal vol
variable PRESS equal press
variable LX equal lx
variable LZ equal lz
variable PXX equal pxx
variable PYY equal pyy
variable PZZ equal pzz

fix             1 all nvt temp 413.0 413.0 0.1 fixedpoint 0.0 0.0 0.0
#fix 			thermo_output all print 2000 "${STEP} ${PE} ${KE} ${ETOTAL} ${TEMP} ${VOL} ${PRESS} ${LX} ${LZ} ${PXX} ${PYY} ${PZZ}" file thermo.lammps title "# Step PotEng KinEng TotEng Temp Volume Press Lx Lz Pxx Pyy Pzz"

#dump		    1 all custom 10 traj_npt.lammpstrj id mol type x y z ix iy iz

run             100
PPPM initialization ...
WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
  G vector (1/distance) = 0.224856
  grid = 27 27 64
  stencil order = 5
  estimated absolute RMS force accuracy = 0.00015081
  estimated relative force accuracy = 1.04732e-05
  using double precision FFTs
  3d grid and FFT values/proc = 79764 46656
WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (../pair.cpp:218)
Per MPI rank memory allocation (min/avg/max) = 96.44 | 96.44 | 96.44 Mbytes
Step PotEng KinEng TotEng Temp Press Pxx Pyy Pzz 
       0   -10033.541    968.66066   -9064.8807          413   -1034.7033    5221.7757   -4827.0742   -3498.8115 
      10   -9717.5642    663.69058   -9053.8736    282.97238   -392.07182    5076.3825   -3643.5902   -2609.0078 
      20   -9592.3732    550.97993   -9041.3932    234.91685   -737.21307    4729.9669   -4234.1008   -2707.5053 
      30   -9689.9997    645.41353   -9044.5862    275.17974   -1095.6905    5368.8361   -5243.8524   -3412.0551 
      40   -9721.5122    675.86683   -9045.6453    288.16387   -138.73949    6292.4674   -3623.6807   -3085.0052 
      50   -9576.7583    544.96028    -9031.798     232.3503   -552.64225    4683.2668   -3286.1479   -3055.0457 
      60   -9542.5531    522.39339   -9020.1597    222.72864   -1044.0254     3675.027   -3821.1015   -2986.0017 
      70   -9572.4447    551.73535   -9020.7093    235.23893    132.77197    4550.5092   -2208.7446   -1943.4487 
      80   -9684.4674     666.4064    -9018.061     284.1303    999.60397    3345.5104   -202.16376   -144.53477 
      90   -9553.3377    550.82743   -9002.5103    234.85183   -1291.4189    1264.3148   -2496.9658   -2641.6058 
     100   -9551.9716    560.31802   -8991.6536    238.89826   -1189.4791    1842.8208   -3025.5224   -2385.7357 
Loop time of 18.5289 on 1 procs for 100 steps with 18146 atoms

Performance: 0.466 ns/day, 51.469 hours/ns, 5.397 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.326     | 14.326     | 14.326     |   0.0 | 77.31
Bond    | 0.65294    | 0.65294    | 0.65294    |   0.0 |  3.52
Kspace  | 2.2291     | 2.2291     | 2.2291     |   0.0 | 12.03
Neigh   | 1.2037     | 1.2037     | 1.2037     |   0.0 |  6.50
Comm    | 0.038561   | 0.038561   | 0.038561   |   0.0 |  0.21
Output  | 0.0022585  | 0.0022585  | 0.0022585  |   0.0 |  0.01
Modify  | 0.058746   | 0.058746   | 0.058746   |   0.0 |  0.32
Other   |            | 0.018      |            |       |  0.10

Nlocal:    18146 ave 18146 max 18146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    29127 ave 29127 max 29127 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    441898 ave 441898 max 441898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 441898
Ave neighs/atom = 24.3524
Ave special neighs/atom = 5.92362
Neighbor list builds = 5
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:22
